6ZHH

Ca2+-ATPase from Listeria Monocytogenes with G4 insertion.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	74.062, 188.499, 350.007
Unit cell angles	90.00, 91.94, 90.00

Refinement procedure

Resolution	49.582 - 3.000
R-factor	0.2549
Rwork	0.255
R-free	0.28490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b9b 3b9r
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.050
High resolution limit [Å]	3.000	3.000
Number of reflections	184311	8766
<I/σ(I)>	5.8
Completeness [%]	96.2
Redundancy	2.9
CC(1/2)	0.988	0.333

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	18% PEG2000, 8% glycerol, 8% MPD, 100mM MgCl2 and 50 mM Tris-HCl, pH 7.2